SCHEMBL26474276

SCHEMBL26474276

C=CC(=O)Nc1cc(Nc2nc(NC(=C)CC)c3cc[nH]c3n2)c(OC)cc1N(C)CCN(C)C

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.74
KCNH2 Q12809 2/20 0.58
IGF1R P08069 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL26103898 0.86 EGFR (0.71) EGFRKCNH2IGF1R
SCHEMBL29943943 0.86 EGFR (0.71) EGFRKCNH2IGF1R
SCHEMBL17467210 0.85 EGFR (1.00) EGFRKCNH2IGF1R
SCHEMBL17467212 0.83 EGFR (0.71) EGFRKCNH2IGF1R
SCHEMBL19239596 0.83 EGFR (0.87) EGFRKCNH2
SCHEMBL26474195 0.82 EGFR (0.65) EGFRKCNH2
SCHEMBL19239594 0.82 EGFR (0.82) EGFRKCNH2
SCHEMBL17467209 0.82 EGFR (1.00) EGFRKCNH2IGF1R
SCHEMBL17466926 0.82 EGFR (1.00) EGFRKCNH2
SCHEMBL17467207 0.81 EGFR (1.00) EGFR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230137932-A1 CYANO-PYRIMIDINE INHIBITORS OF EGFR/HER2 DANA-FARBER CANCER INSTITUTE, INC. 2023-05-04 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230137932-A1 CYANO-PYRIMIDINE INHIBITORS OF EGFR/HER2 ERBB2, EGFR, ERBB3 EGFR 2/4885KCNH2 4451/4885IGF1R 389/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.